N-[[3,5-diethyl-1-[2-(2-methylpropoxy)ethyl]pyrazol-4-yl]methyl]propan-2-amine

C17H33N3O — CID 106457431

IUPACN-[[3,5-diethyl-1-[2-(2-methylpropoxy)ethyl]pyrazol-4-yl]methyl]propan-2-amine
SMILESCCc1nn(CCOCC(C)C)c(CC)c1CNC(C)C
InChIInChI=1S/C17H33N3O/c1-7-16-15(11-18-14(5)6)17(8-2)20(19-16)9-10-21-12-13(3)4/h13-14,18H,7-12H2,1-6H3
InChIKeyNJFGASYXXVXQAT-UHFFFAOYSA-N
MW295.47 g/mol
LogP3.18
Rot. Bonds10

About N-[[3,5-diethyl-1-[2-(2-methylpropoxy)ethyl]pyrazol-4-yl]methyl]propan-2-amine

N-[[3,5-diethyl-1-[2-(2-methylpropoxy)ethyl]pyrazol-4-yl]methyl]propan-2-amine (PubChem CID 106457431) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is N-[[3,5-diethyl-1-[2-(2-methylpropoxy)ethyl]pyrazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3,5-diethyl-1-[2-(2-methylpropoxy)ethyl]pyrazol-4-yl]methyl]propan-2-amine
PubChem CID106457431
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC NameN-[[3,5-diethyl-1-[2-(2-methylpropoxy)ethyl]pyrazol-4-yl]methyl]propan-2-amine
SMILESCCc1nn(CCOCC(C)C)c(CC)c1CNC(C)C
InChIInChI=1S/C17H33N3O/c1-7-16-15(11-18-14(5)6)17(8-2)20(19-16)9-10-21-12-13(3)4/h13-14,18H,7-12H2,1-6H3
InChIKeyNJFGASYXXVXQAT-UHFFFAOYSA-N
XLogP3.18
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1,3,5-triethylpyrazol-4-yl)methyl]propan-2-amine
CID 82698359
N-[[3,5-diethyl-1-(3-methylbutyl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 82698283
4-(chloromethyl)-3,5-diethyl-1-(2-propan-2-yloxyethyl)pyrazole
CID 82699042
N-[[3,5-diethyl-1-(2-methylpropyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 82696836
N-[[3,5-diethyl-1-(3-methoxypropyl)pyrazol-4-yl]methyl]ethanamine
CID 82697711
N-[[3-methyl-1-[2-(2-methylpropoxy)ethyl]pyrazol-4-yl]methyl]propan-2-amine
CID 106458322
1-[1-(2-butoxyethyl)-3,5-diethylpyrazol-4-yl]-N-methylethanamine
CID 82698129
[3,5-diethyl-1-(4-methylpentyl)pyrazol-4-yl]methanamine
CID 83168953
1-[3,5-diethyl-1-(2-methylbutyl)pyrazol-4-yl]-N-methylmethanamine
CID 82698238
1-[1-(2-ethoxyethyl)-3,5-diethylpyrazol-4-yl]-N-propylpropan-1-amine
CID 82700734
1-[3,5-diethyl-1-[2-(3-methylbutoxy)ethyl]pyrazol-4-yl]propan-1-one
CID 82699731
N-[[3,5-diethyl-1-(2-fluoroethyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 82697645

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-diethyl-1-[2-(2-methylpropoxy)ethyl]pyrazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[3,5-diethyl-1-[2-(2-methylpropoxy)ethyl]pyrazol-4-yl]methyl]propan-2-amine (CID 106457431) is N-[[3,5-diethyl-1-[2-(2-methylpropoxy)ethyl]pyrazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3,5-diethyl-1-[2-(2-methylpropoxy)ethyl]pyrazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3,5-diethyl-1-[2-(2-methylpropoxy)ethyl]pyrazol-4-yl]methyl]propan-2-amine is CCc1nn(CCOCC(C)C)c(CC)c1CNC(C)C.
What is the InChIKey of N-[[3,5-diethyl-1-[2-(2-methylpropoxy)ethyl]pyrazol-4-yl]methyl]propan-2-amine?
The InChIKey is NJFGASYXXVXQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-7-16-15(11-18-14(5)6)17(8-2)20(19-16)9-10-21-12-13(3)4/h13-14,18H,7-12H2,1-6H3.
What are the key properties of N-[[3,5-diethyl-1-[2-(2-methylpropoxy)ethyl]pyrazol-4-yl]methyl]propan-2-amine?
N-[[3,5-diethyl-1-[2-(2-methylpropoxy)ethyl]pyrazol-4-yl]methyl]propan-2-amine has a molecular weight of 295.47 g/mol, XLogP of 3.18, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-diethyl-1-[2-(2-methylpropoxy)ethyl]pyrazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 106457431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).